SCHEMBL23558148

SCHEMBL23558148

N#Cc1cc(-c2nnc(-c3ccc4[nH]ccc4c3)o2)ccc1CCC(O)(O)O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.40
CDK1 P06493 1/20 0.39
KDR P35968 1/20 0.39
APP P05067 1/20 0.38
NPC1 O15118 2/20 0.37
IMPDH2 P12268 1/20 0.37
IMPDH1 P20839 1/20 0.37
LRRK2 Q5S007 4/20 0.37
GUSB P08236 1/20 0.36
PRKCQ Q04759 1/20 0.35
S1PR1 P21453 2/20 0.35
S1PR3 Q99500 1/20 0.35
RIPK3 Q9Y572 1/20 0.35
CYP17A1 P05093 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
BRD4 O60885 1/20 0.34
CTSK P43235 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25856557 0.89 PSMB8 (0.40) PSMB8CDK1KDRAPPNPC1
SCHEMBL30355554 0.71 LRRK2 (0.44) PSMB8APPIMPDH2IMPDH1LRRK2
SCHEMBL23523820 0.71 LRRK2 (0.44) PSMB8APPIMPDH2IMPDH1LRRK2
SCHEMBL25863699 0.71 S1PR1 (0.50) PSMB8S1PR1S1PR3BRD4
SCHEMBL25864805 0.70 GUSB (0.45) PSMB8APPLRRK2GUSBS1PR1
SCHEMBL12172035 0.69 MYC (0.53) PSMB8APPNPC1
SCHEMBL25857009 0.68 LRRK2 (0.43) PSMB8APPNPC1LRRK2GUSB
SCHEMBL1930689 0.64 BRD4 (0.56) PSMB8NPC1LRRK2S1PR1S1PR3
SCHEMBL25864784 0.63 GUSB (0.45) PSMB8APPLRRK2GUSBS1PR1
SCHEMBL12614804 0.62 PIM1 (0.53)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 US disclosed
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2021-06-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 PSMB8 3946/4885CDK1 2453/4885KDR 406/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 PSMB8 3946/4885CDK1 2453/4885KDR 406/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.